2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone

C14H22N2O2S — CID 43747569

IUPAC2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2sccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-5-8-19-13(11)9-15-12-3-6-16(7-4-12)14(17)10-18-2/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyPLTKQTFKARQYQC-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.78
Rot. Bonds5

About 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43747569) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID43747569
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2sccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-5-8-19-13(11)9-15-12-3-6-16(7-4-12)14(17)10-18-2/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyPLTKQTFKARQYQC-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697955
2-ethyl-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]butan-1-one
CID 78895211
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791438
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 102833978
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone (CID 43747569) is 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2sccc2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is PLTKQTFKARQYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-8-19-13(11)9-15-12-3-6-16(7-4-12)14(17)10-18-2/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 282.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43747569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).